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EPJ B - Solids under pressure

EPJB - Solids under pressure

Constant-pressure molecular dynamics simulations allow the study of systems where external pressure is a driving force for a structural transformation.

In this colloquium paper in EPJB, Roman Martoňák reviews various approaches to computer simulations of pressure-induced structural transformations in various kinds of solids with a focus on the recent developments in simulation methodology, such as metadynamics and transition path sampling applicable to the study of structural phase transitions in crystals. The application of the techniques to bulk and finite systems is illustrated by several examples. The author argues that computer simulations nowadays provide a solid route to study structural transformations, and are capable not only to complement experiments, but have also a predictive power, especially when ab initio techniques are used.

To read the full paper 'Atomistic simulations of pressure-induced structural transformations in solids', by R. Martoňák, Eur. Phys. J. B 79, 241-252 (2011), click here.

B. Fraboni and G. García López
Thank you. We are indebted to the reviewers, Editor for their time and pinpoint comments and suggestions. I am also thankful for the Editorial office. The speed of the manuscript processing and the updates are too good.

Vemula Ramakrishna Reddy, IIT Hyderabad, India

ISSN: 2190-5444 (Electronic Edition)

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